IFLAB-ZINC04392020 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.6500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.1200 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 1.4360 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.1310 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -2.7680 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -4.1510 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -4.8260 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -4.1390 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.8550 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -6.5870 -0.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -6.9600 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -8.4530 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -9.1940 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -8.9660 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -10.3440 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -10.9390 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -12.2590 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -12.8050 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -11.5000 -0.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -0.3660 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -2.1970 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -4.6920 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -6.5360 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -6.5270 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -8.3740 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -12.8490 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -13.8620 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 M END